2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile

Systemtic Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile Openeye Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile CAS Name: 2-[(4-methoxyphenyl)methyl]-1-isoquinolin-2-iumcarbonitrile IUPAC Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium-1-carbonitrile Traditional Name: 2-p-anisylisoquinolin-2-ium-1-carbonitrile Formula: C18H15N2O+ MolecularWeight: 275.3245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3C=C2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3C=C2)C#N

InChI

InChI=1S/C18H15N2O/c1-21-16-8-6-14(7-9-16)13-20-11-10-15-4-2-3-5-17(15)18(20)12-19/h2-11H,13H2,1H3/q+1